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Dynorphin A 1-8

PropertiesImage
MNX_IDMNXM51736 Image of MNXM51736
referencebiggM:CE2858
formulaC46H74N14O10
global charge2
mol weight983.186
InChIKeyWRPLGMBDXVBPEG-PUGOIMMUSA-P
InChIInChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/p+2/t27-,31-,32+,33+,34?,35+,38-/m0/s1
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CC1=CC=C(O)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32+,33+,34?,35+,38-/m0/s1 Image of MNXM51736
SMILES (mnx)[CH3:1][CH2:5][C@H:27]([CH3:4])[C@@H:38]([C:44](=[O:69])[OH:70])[N:60]=[C:41]([C@@H:33]([CH2:14][CH2:10][CH2:20][NH:53][C:46](=[NH:50])[NH2:51])[N:57]=[C:40]([C@@H:32]([CH2:13][CH2:9][CH2:19][NH:52][C:45](=[NH:48])[NH2:49])[N:58]=[C:42]([CH:34]([CH2:21][CH:26]([CH3:2])[CH3:3])[N:59]=[C:43]([C@@H:35]([CH2:23][C:28]1=[CH:11][CH:7]=[CH:6][CH:8]=[CH:12]1)[N:56]=[C:37]([CH2:25][N:54]=[C:36]([CH2:24][N:55]=[C:39]([C@H:31]([CH2:22][C:29]1=[CH:16][CH:18]=[C:30]([OH:61])[CH:17]=[CH:15]1)[NH2:47])[OH:64])[OH:62])[OH:63])[OH:68])[OH:67])[OH:65])[OH:66]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE2858
biggM:CE2858
WRPLGMBDXVBPEG-PUGOIMMUSA-P 		Dynorphin A 1-8
hmdb:HMDB0012933
WRPLGMBDXVBPEG-PUGOIMMUSA-N 		Dynorphin A 1-8
(2S,3S)-2-[(2R)-2-[(2R)-2-{2-[(2R)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid
(2S,3S)-2-{[(2R)-2-{[(2R)-2-[(2-{[(2R)-2-({2-[(2-{[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-5-carbamimidamido-1-hydroxypentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-3-methylpentanoate
Dynorphin (1-8)
Dynorphin a (1-8)
Dynorphin a fragment 1-8
PH-8P
Tyr-gly-gly-phe-leu-arg-arg-ile
Tyrosyl-glycyl-glycyl-phenylalanyl--leucyl-arginyl-arginyl-isoleucine

vmhM:CE2858
vmhmetabolite:CE2858
WRPLGMBDXVBPEG-PUGOIMMUSA-P 		dynorphin A 1-8

hmdb:HMDB12933
biggM:M_CE2858
vmhM:M_CE2858 		secondary/obsolete/fantasy identifier